methyl N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamate

Systemtic Name: methyl N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamate Openeye Name: methyl N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamate CAS Name: N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamate Traditional Name: N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamic acid methyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

COC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C17H19N3O3S/c1-23-17(22)20-16-14(12-6-2-3-7-13(12)24-16)15(21)19-10-11-5-4-8-18-9-11/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,19,21)(H,20,22)